CID 2856177

325851-59-0

Structural Information

Molecular Formula
C12H15NO5S
SMILES
C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C12H15NO5S/c14-12(15)9-3-5-11(6-4-9)19(16,17)13-8-10-2-1-7-18-10/h3-6,10,13H,1-2,7-8H2,(H,14,15)
InChIKey
VGMULOZGMOSVOZ-UHFFFAOYSA-N
Compound name
4-(oxolan-2-ylmethylsulfamoyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

285.0671 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07438 161.8
[M+Na]+ 308.05632 169.4
[M+NH4]+ 303.10092 167.4
[M+K]+ 324.03026 166.5
[M-H]- 284.05982 163.6
[M+Na-2H]- 306.04177 165.0
[M]+ 285.06655 163.4
[M]- 285.06765 163.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.